#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvi n ASP 2 N 0.00 -5.15 0.00 7.83 9.92 -1.26 -4.79 116.55 123.10 1kvi n ASP 2 Ca 0.00 -1.04 0.10 0.00 -0.53 0.00 0.00 54.79 53.32 1kvi n ASP 2 Cb 0.00 -2.94 0.57 0.00 -0.64 0.00 0.00 41.12 38.11 1kvi n ASP 2 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1kvi n PRO 3 N -4.17 0.46 -2.72 -0.24 -0.04 -1.26 -4.17 135.00 122.86 1kvi n PRO 3 Ca -0.11 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1kvi n PRO 3 Cb 0.59 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1kvi n PRO 3 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1kvi n SER 4 N -1.16 -2.49 -4.57 3.54 3.41 -1.26 -5.04 113.62 106.05 1kvi n SER 4 Ca 0.12 -2.45 -0.14 0.00 -0.26 0.00 0.00 58.87 56.15 1kvi n SER 4 Cb 0.12 1.39 -0.10 0.00 -0.26 0.00 0.00 64.21 65.36 1kvi n SER 4 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1kvi n MET 5 N 2.19 0.28 -3.66 4.33 0.00 -1.26 -3.27 117.12 115.73 1kvi n MET 5 Ca 0.11 -1.37 -0.22 0.00 0.00 0.00 0.00 57.70 56.22 1kvi n MET 5 Cb 0.63 -3.86 0.04 0.00 0.00 0.00 0.00 33.22 30.03 1kvi n MET 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1kvi n GLY 6 N 6.41 -0.40 2.89 3.17 0.00 -1.26 -4.99 105.19 111.02 1kvi n GLY 6 Ca 0.43 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 1kvi n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kvi s VAL 7 N -3.63 -0.03 0.44 1.61 -7.23 -1.20 -3.87 120.40 106.49 1kvi s VAL 7 Ca 0.07 0.10 0.04 0.00 -1.81 0.00 0.00 61.98 60.37 1kvi s VAL 7 Cb -0.02 -0.13 0.04 0.00 0.56 0.00 0.00 36.38 36.83 1kvi s VAL 7 CO 0.81 0.04 0.32 0.59 -0.31 0.00 0.00 175.10 176.55 1kvi n ASN 8 N 3.61 2.43 -4.01 4.85 4.13 -0.52 -4.87 115.26 120.88 1kvi n ASN 8 Ca -0.20 -2.53 -0.21 0.00 1.68 0.00 0.00 54.58 53.33 1kvi n ASN 8 Cb 0.55 -0.02 -0.16 0.00 -1.54 0.00 0.00 39.78 38.61 1kvi n ASN 8 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1kvi s SER 9 N -3.58 1.31 0.04 6.41 0.01 -1.26 -1.75 113.70 114.88 1kvi s SER 9 Ca 0.24 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.36 1kvi s SER 9 Cb -0.02 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1kvi s SER 9 CO 0.15 0.06 -0.17 -0.69 0.41 0.00 0.00 173.24 173.01 1kvi s VAL 10 N 0.25 1.33 0.46 3.43 1.01 0.64 -4.97 120.40 122.55 1kvi s VAL 10 Ca -0.04 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1kvi s VAL 10 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1kvi s VAL 10 CO 0.01 0.09 0.30 0.42 0.00 0.00 0.00 175.10 175.92 1kvi s THR 11 N -0.81 2.12 -0.28 3.92 -4.23 -1.24 -1.35 115.64 113.76 1kvi s THR 11 Ca 0.04 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1kvi s THR 11 Cb -0.08 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.20 1kvi s THR 11 CO 0.01 0.00 0.79 -0.51 -0.54 0.00 0.00 174.62 174.37 1kvi s ILE 12 N -2.64 0.00 0.07 2.99 -1.16 -0.68 -0.64 121.20 119.15 1kvi s ILE 12 Ca 0.39 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 60.28 1kvi s ILE 12 Cb -0.00 -1.00 -0.06 0.00 0.61 0.00 0.00 42.46 42.01 1kvi s ILE 12 CO 0.23 0.00 0.77 -0.55 -2.81 0.00 0.00 174.94 172.58 1kvi s SER 13 N 1.53 7.25 0.32 4.50 0.15 -0.62 -0.75 113.70 126.08 1kvi s SER 13 Ca -0.10 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.12 1kvi s SER 13 Cb -0.05 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1kvi s SER 13 CO -0.18 0.05 -0.04 0.54 1.20 0.00 0.00 173.24 174.81 1kvi s VAL 14 N -0.27 1.79 0.00 4.45 0.11 0.26 0.18 120.40 126.92 1kvi s VAL 14 Ca 0.38 -2.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 1kvi s VAL 14 Cb -0.21 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1kvi s VAL 14 CO 0.24 -0.19 0.00 1.21 -3.33 0.00 0.00 175.10 173.02 1kvi n GLU 15 N -0.70 0.00 -2.93 1.54 2.13 -0.81 -4.28 120.64 115.59 1kvi n GLU 15 Ca -0.05 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.34 1kvi n GLU 15 Cb 0.64 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.32 1kvi n GLU 15 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1kvi s GLY 16 N -1.00 1.58 -0.29 8.31 0.00 -1.18 -4.94 107.32 109.81 1kvi s GLY 16 Ca 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 44.72 42.60 1kvi s GLY 16 CO 0.00 1.95 0.37 -3.16 0.00 0.00 0.00 173.10 172.26 1kvi s MET 17 N 3.47 0.38 0.02 2.90 0.23 -1.26 -3.89 119.30 121.15 1kvi s MET 17 Ca 0.22 0.04 -0.05 0.00 -1.03 0.00 0.00 55.69 54.87 1kvi s MET 17 Cb -0.16 -0.44 -0.01 0.00 -1.53 0.00 0.00 34.83 32.69 1kvi s MET 17 CO 0.05 -1.03 1.08 1.15 -2.03 0.00 0.00 175.02 174.25 1kvi h THR 18 N 6.20 0.00 -1.30 3.16 2.02 -1.98 -3.47 112.91 117.54 1kvi h THR 18 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1kvi h THR 18 Cb 1.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1kvi h THR 18 CO 0.29 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1kvi n ASN 20 N -0.46 -0.36 0.31 0.00 5.15 -1.26 0.13 115.26 118.78 1kvi n ASN 20 Ca 0.00 1.67 0.04 0.00 -0.60 0.00 0.00 54.58 55.69 1kvi n ASN 20 Cb 0.00 -0.50 0.21 0.00 -0.53 0.00 0.00 39.78 38.96 1kvi n ASN 20 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1kvi h SER 21 N 0.00 0.00 0.00 1.20 0.02 -1.97 -2.60 113.55 110.21 1kvi h SER 21 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1kvi h SER 21 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1kvi h SER 21 CO -1.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 174.69 1kvi h VAL 23 N 0.00 0.19 0.01 0.00 3.04 -1.74 0.66 116.25 118.41 1kvi h VAL 23 Ca 0.00 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1kvi h VAL 23 Cb 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1kvi h VAL 23 CO 0.00 0.03 -0.00 -0.50 -1.01 0.00 0.00 177.57 176.09 1kvi h TRP 24 N 0.18 -0.01 -0.82 3.17 6.55 -1.65 1.57 115.95 124.93 1kvi h TRP 24 Ca 0.78 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.63 1kvi h TRP 24 Cb 2.07 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 30.33 1kvi h TRP 24 CO -0.01 0.47 0.54 1.15 -1.05 0.00 0.00 178.44 179.55 1kvi h THR 25 N -0.50 1.21 0.23 1.49 2.02 -0.39 0.14 112.91 117.12 1kvi h THR 25 Ca -0.00 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1kvi h THR 25 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1kvi h THR 25 CO 0.00 0.21 -0.11 0.40 0.37 0.00 0.00 175.52 176.39 1kvi h ILE 26 N 1.12 0.79 -0.04 3.11 2.04 -0.83 -2.66 117.51 121.04 1kvi h ILE 26 Ca 0.30 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1kvi h ILE 26 Cb -0.12 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1kvi h ILE 26 CO -0.06 0.16 0.26 -0.08 0.00 0.00 0.00 178.15 178.43 1kvi h GLU 27 N -0.78 0.00 0.29 2.37 4.81 0.26 -1.50 114.58 120.04 1kvi h GLU 27 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1kvi h GLU 27 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1kvi h GLU 27 CO 0.05 0.00 -0.14 0.37 -0.73 0.00 0.00 179.01 178.56 1kvi h GLN 28 N 0.00 -0.38 0.20 1.92 4.15 -0.38 -2.15 115.11 118.47 1kvi h GLN 28 Ca 0.02 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1kvi h GLN 28 Cb 0.55 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1kvi h GLN 28 CO -0.00 -0.11 -0.10 1.96 -1.93 0.00 0.00 178.83 178.65 1kvi h GLN 29 N -1.02 -0.26 -0.95 1.69 4.20 -1.15 -0.29 115.11 117.32 1kvi h GLN 29 Ca -0.04 0.02 0.21 0.00 0.06 0.00 0.00 58.65 58.90 1kvi h GLN 29 Cb 0.44 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.20 1kvi h GLN 29 CO 0.07 -0.13 0.62 0.97 -0.67 0.00 0.00 178.83 179.69 1kvi h ILE 30 N -0.32 0.66 0.00 2.54 2.10 -1.43 1.62 117.51 122.69 1kvi h ILE 30 Ca -0.03 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1kvi h ILE 30 Cb 0.25 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.10 1kvi h ILE 30 CO 0.04 0.09 0.00 1.23 -1.08 0.00 0.00 178.15 178.44 1kvi h GLY 31 N 0.50 0.00 -0.56 8.18 0.00 -0.70 -3.10 103.07 107.40 1kvi h GLY 31 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1kvi h GLY 31 CO -0.24 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.47 1kvi n LYS 32 N -2.41 2.00 0.06 4.80 0.00 0.47 -4.68 118.16 118.41 1kvi n LYS 32 Ca 0.05 -2.56 -0.22 0.00 0.00 0.00 0.00 58.31 55.57 1kvi n LYS 32 Cb 0.41 -1.56 -0.15 0.00 0.00 0.00 0.00 35.03 33.73 1kvi n LYS 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1kvi h VAL 33 N 0.66 1.24 0.00 3.15 3.04 0.10 -3.48 116.25 120.95 1kvi h VAL 33 Ca 0.00 -2.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.16 1kvi h VAL 33 Cb 1.09 2.97 0.00 0.00 -2.01 0.00 0.00 31.29 33.34 1kvi h VAL 33 CO 0.07 0.76 0.00 -3.20 -1.01 0.00 0.00 177.57 174.19 1kvi n ASN 34 N -3.90 2.28 -2.74 3.17 5.15 -1.26 -4.99 115.26 112.97 1kvi n ASN 34 Ca -0.19 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.68 1kvi n ASN 34 Cb 0.95 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 40.16 1kvi n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kvi n GLY 35 N 0.00 2.27 3.90 8.20 0.00 -1.26 -4.84 105.19 113.46 1kvi n GLY 35 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1kvi n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvi s VAL 36 N 3.10 5.16 0.00 1.61 0.11 -1.26 -1.22 120.40 127.89 1kvi s VAL 36 Ca 0.27 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1kvi s VAL 36 Cb 0.10 -3.66 -0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1kvi s VAL 36 CO -0.01 -0.05 -0.01 0.00 -3.33 0.00 0.00 175.10 171.69 1kvi n HIS 37 N -0.20 0.00 -4.50 1.54 1.44 -1.26 -4.98 115.22 107.25 1kvi n HIS 37 Ca -0.03 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.45 1kvi n HIS 37 Cb 0.52 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.51 1kvi n HIS 37 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1kvi s HIS 38 N -1.17 2.16 0.00 -1.40 -3.43 -1.26 -5.06 115.29 105.13 1kvi s HIS 38 Ca -0.01 -0.79 -0.09 0.00 -0.80 0.00 0.00 55.06 53.37 1kvi s HIS 38 Cb 0.00 -1.42 0.01 0.00 -1.43 0.00 0.00 32.58 29.74 1kvi s HIS 38 CO 0.01 0.23 0.17 0.42 -2.00 0.00 0.00 174.74 173.58 1kvi s ILE 39 N -3.02 0.08 0.10 -5.38 1.09 -1.26 -2.75 121.20 110.05 1kvi s ILE 39 Ca 0.35 -0.65 0.08 0.00 -1.10 0.00 0.00 60.65 59.32 1kvi s ILE 39 Cb 0.08 -0.47 -0.03 0.00 -1.06 0.00 0.00 42.46 40.97 1kvi s ILE 39 CO 0.16 -0.36 -0.20 -0.75 -0.10 0.00 0.00 174.94 173.69 1kvi s LYS 40 N -1.39 1.08 -0.28 2.79 2.20 0.41 -4.93 119.74 119.63 1kvi s LYS 40 Ca -0.15 -1.13 -0.23 0.00 -0.36 0.00 0.00 55.97 54.11 1kvi s LYS 40 Cb -0.07 -1.31 0.10 0.00 -1.51 0.00 0.00 37.83 35.04 1kvi s LYS 40 CO 0.02 0.30 0.86 0.54 -0.36 0.00 0.00 175.35 176.72 1kvi s VAL 41 N -1.17 0.00 -0.08 4.02 0.11 -1.26 -0.69 120.40 121.33 1kvi s VAL 41 Ca 0.05 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1kvi s VAL 41 Cb -0.10 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1kvi s VAL 41 CO 0.04 0.00 0.17 -0.55 -3.33 0.00 0.00 175.10 171.43 1kvi s SER 42 N 0.62 0.03 0.00 3.54 0.15 -0.67 -4.99 113.70 112.38 1kvi s SER 42 Ca -0.01 0.36 0.31 0.00 0.70 0.00 0.00 55.95 57.30 1kvi s SER 42 Cb -0.05 0.26 1.61 0.00 -1.71 0.00 0.00 66.02 66.13 1kvi s SER 42 CO -0.07 -0.17 2.08 0.00 1.20 0.00 0.00 173.24 176.28 1kvi n LEU 43 N 4.46 0.10 0.07 3.45 -0.00 -1.26 -2.54 117.00 121.29 1kvi n LEU 43 Ca -0.22 0.13 -0.12 0.00 -0.00 0.00 0.00 56.01 55.80 1kvi n LEU 43 Cb 0.51 -0.16 -0.13 0.00 -0.00 0.00 0.00 43.42 43.64 1kvi n LEU 43 CO 0.14 0.02 -0.06 -0.08 -0.00 0.00 0.00 177.39 177.41 1kvi h GLU 44 N 0.14 0.15 -0.02 1.47 4.81 -1.94 -3.32 114.58 115.87 1kvi h GLU 44 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1kvi h GLU 44 Cb 0.20 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1kvi h GLU 44 CO 0.00 1.08 -0.09 0.39 -0.73 0.00 0.00 179.01 179.66 1kvi n GLU 45 N -3.42 1.28 -3.33 1.92 -0.58 -1.22 -5.00 120.64 110.28 1kvi n GLU 45 Ca -0.07 -1.18 -0.17 0.00 -0.42 0.00 0.00 57.16 55.31 1kvi n GLU 45 Cb 1.00 -1.26 0.07 0.00 -0.57 0.00 0.00 31.44 30.68 1kvi n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1kvi n LYS 46 N 0.53 -2.82 -3.66 3.49 4.01 -1.05 -4.82 118.16 113.82 1kvi n LYS 46 Ca 0.08 0.82 -0.03 0.00 -0.51 0.00 0.00 58.31 58.67 1kvi n LYS 46 Cb 0.34 -5.66 -0.01 0.00 -0.51 0.00 0.00 35.03 29.19 1kvi n LYS 46 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1kvi s ASN 47 N -3.56 -0.16 -0.11 4.39 2.47 -1.17 0.92 114.94 117.72 1kvi s ASN 47 Ca 0.39 -0.23 -0.14 0.00 0.42 0.00 0.00 52.86 53.30 1kvi s ASN 47 Cb -0.06 0.34 0.03 0.00 -1.45 0.00 0.00 41.25 40.11 1kvi s ASN 47 CO 0.75 -0.61 0.36 0.00 -3.72 0.00 0.00 177.10 173.89 1kvi s ALA 48 N -2.91 -0.90 -0.39 1.71 0.00 0.07 -1.68 121.76 117.67 1kvi s ALA 48 Ca 0.12 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1kvi s ALA 48 Cb 0.01 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1kvi s ALA 48 CO -0.02 -0.20 0.18 0.99 0.00 0.00 0.00 175.76 176.71 1kvi s THR 49 N -0.21 3.73 0.18 0.00 2.01 0.14 -1.68 115.64 119.80 1kvi s THR 49 Ca -0.04 -1.53 0.11 0.00 0.31 0.00 0.00 61.69 60.54 1kvi s THR 49 Cb -0.03 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1kvi s THR 49 CO 0.02 -0.45 -0.21 -0.51 -0.69 0.00 0.00 174.62 172.78 1kvi s ILE 50 N 1.32 2.54 0.45 1.82 -1.16 -0.46 0.15 121.20 125.86 1kvi s ILE 50 Ca 0.02 -1.91 0.04 0.00 -0.51 0.00 0.00 60.65 58.30 1kvi s ILE 50 Cb -0.22 -2.22 0.04 0.00 0.61 0.00 0.00 42.46 40.68 1kvi s ILE 50 CO 0.00 -0.09 0.36 2.30 -2.81 0.00 0.00 174.94 174.70 1kvi n ILE 51 N 0.29 0.00 -3.65 2.00 -6.64 -1.11 -0.26 119.36 109.99 1kvi n ILE 51 Ca -0.13 -1.75 -0.03 0.00 -1.77 0.00 0.00 62.75 59.07 1kvi n ILE 51 Cb 0.55 -0.16 -0.07 0.00 -1.44 0.00 0.00 39.64 38.53 1kvi n ILE 51 CO 0.00 0.00 0.00 -0.72 -1.77 0.00 0.00 176.55 174.06 1kvi s TYR 52 N -2.19 -0.06 -0.43 4.28 1.13 -0.72 -4.65 117.35 114.71 1kvi s TYR 52 Ca 0.27 0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.79 1kvi s TYR 52 Cb -0.02 0.48 0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1kvi s TYR 52 CO 0.17 -0.03 1.14 0.16 -2.51 0.00 0.00 175.55 174.48 1kvi s ASP 53 N -0.13 6.70 0.00 -0.18 -4.77 -0.36 -1.44 116.67 116.50 1kvi s ASP 53 Ca 0.07 0.66 0.20 0.00 -3.30 0.00 0.00 52.55 50.18 1kvi s ASP 53 Cb -0.04 -2.55 1.19 0.00 -1.09 0.00 0.00 42.92 40.43 1kvi s ASP 53 CO -0.14 -1.16 1.59 -0.81 0.70 0.00 0.00 175.17 175.35 1kvi n PRO 54 N 7.58 0.67 0.26 2.11 -0.04 -1.24 -3.16 135.00 141.20 1kvi n PRO 54 Ca 0.12 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.75 1kvi n PRO 54 Cb 0.48 -1.46 0.66 0.00 -0.04 0.00 0.00 33.50 33.14 1kvi n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1kvi h LYS 55 N 0.00 0.00 0.00 0.54 1.57 -1.89 -3.30 116.57 113.48 1kvi h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kvi h LYS 55 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1kvi h LYS 55 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.77 1kvi n LEU 56 N -2.99 0.06 -3.65 2.94 0.00 -1.19 -5.09 117.00 107.08 1kvi n LEU 56 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 56.01 55.94 1kvi n LEU 56 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.65 1kvi n LEU 56 CO 0.26 0.02 1.08 0.00 0.00 0.00 0.00 177.39 178.75 1kvi s GLN 57 N -0.01 0.09 0.26 1.96 -2.07 -1.20 -5.01 119.66 113.68 1kvi s GLN 57 Ca 0.00 0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.66 1kvi s GLN 57 Cb 0.00 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 1kvi s GLN 57 CO 0.00 -0.01 0.00 -2.37 -1.32 0.00 0.00 175.29 171.59 1kvi n THR 58 N 2.09 0.00 -0.01 3.63 5.66 -1.26 -3.59 114.28 120.80 1kvi n THR 58 Ca -0.13 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.76 1kvi n THR 58 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 1kvi n THR 58 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1kvi h PRO 59 N 0.00 -0.08 0.00 1.09 0.13 -1.95 -3.28 132.00 127.91 1kvi h PRO 59 Ca 0.00 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1kvi h PRO 59 Cb 0.00 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1kvi h PRO 59 CO 0.00 0.52 -0.86 0.87 -0.23 0.00 0.00 178.00 178.30 1kvi h LYS 60 N -0.80 0.00 -0.31 0.86 1.57 -1.94 -3.22 116.57 112.72 1kvi h LYS 60 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1kvi h LYS 60 Cb 0.63 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1kvi h LYS 60 CO 0.01 0.94 -0.46 1.15 -0.57 0.00 0.00 179.45 180.53 1kvi h THR 61 N -1.00 0.00 -0.75 -0.16 2.02 -1.92 1.98 112.91 113.08 1kvi h THR 61 Ca -0.23 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.08 1kvi h THR 61 Cb 1.17 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.49 1kvi h THR 61 CO -0.14 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 176.00 1kvi h LEU 62 N -0.35 0.33 -0.43 2.58 4.07 -1.76 0.95 115.31 120.70 1kvi h LEU 62 Ca 0.06 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1kvi h LEU 62 Cb 0.50 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1kvi h LEU 62 CO -0.48 0.15 0.14 1.56 -1.08 0.00 0.00 178.44 178.73 1kvi h GLN 63 N 0.49 0.67 0.00 1.13 1.08 -0.86 -1.51 115.11 116.10 1kvi h GLN 63 Ca 0.40 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1kvi h GLN 63 Cb 0.57 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1kvi h GLN 63 CO -0.37 0.65 0.00 1.49 -0.95 0.00 0.00 178.83 179.65 1kvi h GLU 64 N 0.56 0.00 0.23 1.46 4.57 0.51 -2.59 114.58 119.31 1kvi h GLU 64 Ca 0.14 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1kvi h GLU 64 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1kvi h GLU 64 CO -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 179.01 177.71 1kvi h ALA 65 N 2.00 -0.59 -0.83 2.92 0.00 0.19 1.09 119.26 124.05 1kvi h ALA 65 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1kvi h ALA 65 Cb 0.45 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1kvi h ALA 65 CO 0.00 -0.56 0.55 0.97 0.00 0.00 0.00 179.25 180.20 1kvi h ILE 66 N -0.53 0.78 0.00 0.00 6.09 -1.49 0.16 117.51 122.52 1kvi h ILE 66 Ca -0.03 -0.17 -0.20 0.00 -1.37 0.00 0.00 64.86 63.09 1kvi h ILE 66 Cb 0.24 0.24 -0.03 0.00 0.47 0.00 0.00 36.82 37.74 1kvi h ILE 66 CO 0.05 0.09 -0.94 -0.78 -3.07 0.00 0.00 178.15 173.51 1kvi h ASP 67 N 0.50 0.02 -0.34 2.19 3.58 -1.47 -1.92 116.42 118.97 1kvi h ASP 67 Ca 0.42 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.79 1kvi h ASP 67 Cb 0.88 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1kvi h ASP 67 CO -0.16 0.94 0.01 -0.78 -2.88 0.00 0.00 179.24 176.37 1kvi h ASP 68 N 0.00 0.67 0.00 2.28 3.58 0.42 -3.35 116.42 120.02 1kvi h ASP 68 Ca -0.01 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1kvi h ASP 68 Cb 1.65 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.53 1kvi h ASP 68 CO 0.12 0.73 -0.07 0.24 -2.88 0.00 0.00 179.24 177.39 1kvi h MET 69 N 0.66 0.00 0.00 0.28 2.86 -1.37 -3.50 114.93 113.87 1kvi h MET 69 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1kvi h MET 69 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1kvi h MET 69 CO 0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.39 1kvi n GLY 70 N 1.74 1.43 3.66 8.32 0.00 -0.73 -5.08 105.19 114.54 1kvi n GLY 70 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.48 1kvi n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kvi n PHE 71 N 0.00 1.92 -1.48 1.61 3.72 -1.26 -4.69 117.46 117.28 1kvi n PHE 71 Ca 0.00 0.47 -0.12 0.00 -0.05 0.00 0.00 57.45 57.75 1kvi n PHE 71 Cb 0.00 -2.45 -0.10 0.00 -0.94 0.00 0.00 39.48 35.99 1kvi n PHE 71 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kvi n ASP 72 N 4.32 0.75 -3.89 4.37 -0.08 -1.25 -4.80 116.55 115.96 1kvi n ASP 72 Ca 0.22 -1.97 -0.24 0.00 -1.51 0.00 0.00 54.79 51.29 1kvi n ASP 72 Cb 0.19 -1.47 -0.08 0.00 2.34 0.00 0.00 41.12 42.10 1kvi n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvi s ALA 73 N 13.17 2.60 -0.34 -1.67 0.00 -1.26 -1.92 121.76 132.34 1kvi s ALA 73 Ca 0.75 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1kvi s ALA 73 Cb -0.11 0.98 0.12 0.00 0.00 0.00 0.00 23.12 24.10 1kvi s ALA 73 CO 0.16 -0.44 0.16 0.08 0.00 0.00 0.00 175.76 175.72 1kvi s VAL 74 N -3.29 0.56 0.99 0.00 1.01 0.48 -4.90 120.40 115.24 1kvi s VAL 74 Ca 0.29 -1.53 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1kvi s VAL 74 Cb 0.02 -1.42 0.13 0.00 0.00 0.00 0.00 36.38 35.11 1kvi s VAL 74 CO 0.18 -0.81 0.76 2.30 0.00 0.00 0.00 175.10 177.54 1kvi n ILE 75 N 4.51 0.00 -3.36 2.22 -5.35 -1.26 -1.59 119.36 114.53 1kvi n ILE 75 Ca 0.02 -0.16 -0.21 0.00 -0.27 0.00 0.00 62.75 62.13 1kvi n ILE 75 Cb 0.39 -0.83 -0.09 0.00 -1.74 0.00 0.00 39.64 37.38 1kvi n ILE 75 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1kvi s HIS 76 N -2.48 0.14 -0.05 4.28 2.46 0.19 -4.84 115.29 114.99 1kvi s HIS 76 Ca 0.63 -1.30 0.05 0.00 0.47 0.00 0.00 55.06 54.92 1kvi s HIS 76 Cb -0.22 -0.59 -0.02 0.00 -0.13 0.00 0.00 32.58 31.63 1kvi s HIS 76 CO 0.63 -0.93 -0.21 0.54 -2.47 0.00 0.00 174.74 172.30 1kvi s ASN 77 N 1.05 3.40 0.00 9.88 2.20 -1.26 -3.67 114.94 126.54 1kvi s ASN 77 Ca 0.21 -0.40 0.18 0.00 -0.94 0.00 0.00 52.86 51.91 1kvi s ASN 77 Cb -0.13 -0.76 0.81 0.00 -2.00 0.00 0.00 41.25 39.16 1kvi s ASN 77 CO -0.04 0.29 1.58 -0.81 -2.94 0.00 0.00 177.10 175.18 1kvi n PRO 78 N 2.68 0.04 0.00 3.55 -0.04 -1.26 -5.16 135.00 134.81 1kvi n PRO 78 Ca -0.17 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1kvi n PRO 78 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1kvi n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99